[2-tert-butyl-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] 2,5-bis(chloranyl)benzoate

Systemtic Name: [2-tert-butyl-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] 2,5-bis(chloranyl)benzoate Openeye Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-pyrazol-3-yl] 2,5-dichlorobenzoate CAS Name: 2,5-dichlorobenzoic acid [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-3-pyrazolyl] ester IUPAC Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methylpyrazol-3-yl] 2,5-dichlorobenzoate Traditional Name: 2,5-dichlorobenzoic acid (4-besyl-2-tert-butyl-5-methyl-pyrazol-3-yl) ester Formula: C21H20Cl2N2O4S MolecularWeight: 467.3655

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=C(C=CC(=C3)Cl)Cl)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=C(C=CC(=C3)Cl)Cl)C(C)(C)C

InChI

InChI=1S/C21H20Cl2N2O4S/c1-13-18(30(27,28)15-8-6-5-7-9-15)19(25(24-13)21(2,3)4)29-20(26)16-12-14(22)10-11-17(16)23/h5-12H,1-4H3